1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine

C15H20FN — CID 62079036

IUPAC1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)C1=CCCCC1
InChIInChI=1S/C15H20FN/c1-17-15(13-5-3-2-4-6-13)11-12-7-9-14(16)10-8-12/h5,7-10,15,17H,2-4,6,11H2,1H3
InChIKeyNFJNECBUSGUPQQ-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.46
Rot. Bonds4

About 1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine

1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine (PubChem CID 62079036) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine
PubChem CID62079036
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)C1=CCCCC1
InChIInChI=1S/C15H20FN/c1-17-15(13-5-3-2-4-6-13)11-12-7-9-14(16)10-8-12/h5,7-10,15,17H,2-4,6,11H2,1H3
InChIKeyNFJNECBUSGUPQQ-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106652784
1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 106652629
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078161
1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078209
1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 106652697
1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 106653948
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
[1-(cyclohepten-1-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648713
[1-[(1E)-cycloocten-1-yl]-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648712
1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108
1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106652787
[2-(4-chlorophenyl)-1-[(1E)-cycloocten-1-yl]ethyl]hydrazine
CID 106648598

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine (CID 62079036) is 1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is NFJNECBUSGUPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-17-15(13-5-3-2-4-6-13)11-12-7-9-14(16)10-8-12/h5,7-10,15,17H,2-4,6,11H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine?
1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 233.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 62079036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).